Molecule

ID:94396

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNO
Molecular Mass
151.1377432
Exact Mass
151.04334204
Charge
0
InChI
InChI=1S/C8H6FNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4H2,(H,10,11)
InChIKey
VMUIOEOYZHJLEZ-UHFFFAOYSA-N
Canonic Smiles
O=C1Cc2c(N1)c(F)ccc2
Isomeric Smiles
N1c2c(cccc2CC1=O)F
Calculated Properties
JChem
Acid pKa
11.282793
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2147515
LogD (pH = 7.4)
1.2146965
Log P
1.2147521
Molar Refractivity
39.8013
Polarizability
14.184084
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation